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. 2020 Dec 4;21(23):9266. doi: 10.3390/ijms21239266

Figure 9.

Figure 9

Superoxide π-π approached by model celastrol, final state, obtained after density functional theory (DFT) geometry optimization. Comparing with Figure 8, there is lengthening of the ring C-C double bonds, 1.382 Å and 1.378 Å, and shortening of O-O bond, 1.286, due to O2 formation.